CID 29270

Brn 1481624

Structural Information

Molecular Formula
C15H14F3NO
SMILES
C1CCC2=C(CC1)NC3=C(C2=O)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H14F3NO/c16-15(17,18)9-6-7-11-13(8-9)19-12-5-3-1-2-4-10(12)14(11)20/h6-8H,1-5H2,(H,19,20)
InChIKey
WTAYGPWOLMJSHX-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11003 155.2
[M+Na]+ 304.09197 163.7
[M+NH4]+ 299.13657 160.8
[M+K]+ 320.06591 159.2
[M-H]- 280.09547 152.9
[M+Na-2H]- 302.07742 158.7
[M]+ 281.10220 155.5
[M]- 281.10330 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.